2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C15H25N3OS — CID 63255809

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(N)C1CCCCN1CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C15H25N3OS/c1-12(16)14-5-3-4-7-18(14)10-15(19)17(2)9-13-6-8-20-11-13/h6,8,11-12,14H,3-5,7,9-10,16H2,1-2H3
InChIKeyXCBFMZFDOSPFAM-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.91
Rot. Bonds5

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 63255809) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID63255809
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(N)C1CCCCN1CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C15H25N3OS/c1-12(16)14-5-3-4-7-18(14)10-15(19)17(2)9-13-6-8-20-11-13/h6,8,11-12,14H,3-5,7,9-10,16H2,1-2H3
InChIKeyXCBFMZFDOSPFAM-UHFFFAOYSA-N
XLogP1.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009991
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103442053
2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 106744854
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102681794
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 62273221
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
N-methyl-N-(thiophen-3-ylmethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609839
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 115963766
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 63255809) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CC(N)C1CCCCN1CC(=O)N(C)Cc1ccsc1.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is XCBFMZFDOSPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12(16)14-5-3-4-7-18(14)10-15(19)17(2)9-13-6-8-20-11-13/h6,8,11-12,14H,3-5,7,9-10,16H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 63255809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).